CID 134879774

C11H19N2O3 — CID 134879774

IUPAC—
SMILESCCOC(=O)/C=C1\NC(C)(C)N([O])C1(C)C
InChIInChI=1S/C11H19N2O3/c1-6-16-9(14)7-8-10(2,3)13(15)11(4,5)12-8/h7,12H,6H2,1-5H3/b8-7-
InChIKeyJLNUYCQERBHIBR-FPLPWBNLSA-N
MW227.28 g/mol
LogP1.20
Rot. Bonds2

About CID 134879774

CID 134879774 (PubChem CID 134879774) has the molecular formula C11H19N2O3 and a molecular weight of 227.28 g/mol.

Molecular Properties

Compound NameCID 134879774
PubChem CID134879774
Molecular FormulaC11H19N2O3
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name—
SMILESCCOC(=O)/C=C1\NC(C)(C)N([O])C1(C)C
InChIInChI=1S/C11H19N2O3/c1-6-16-9(14)7-8-10(2,3)13(15)11(4,5)12-8/h7,12H,6H2,1-5H3/b8-7-
InChIKeyJLNUYCQERBHIBR-FPLPWBNLSA-N
XLogP1.20
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 134879774?
The IUPAC name of CID 134879774 (CID 134879774) is not available.
What is the SMILES notation for CID 134879774?
The canonical SMILES for CID 134879774 is CCOC(=O)/C=C1\NC(C)(C)N([O])C1(C)C.
What is the InChIKey of CID 134879774?
The InChIKey is JLNUYCQERBHIBR-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H19N2O3/c1-6-16-9(14)7-8-10(2,3)13(15)11(4,5)12-8/h7,12H,6H2,1-5H3/b8-7-.
What are the key properties of CID 134879774?
CID 134879774 has a molecular weight of 227.28 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134879774 is sourced from PubChem (CID 134879774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).